CID 4962234

[4-(piperidine-1-sulfonyl)phenyl]methanamine hydrochloride

Structural Information

Molecular Formula

C₁₂H₁₈N₂O₂S

SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CN

InChI

InChI=1S/C12H18N2O2S/c13-10-11-4-6-12(7-5-11)17(15,16)14-8-2-1-3-9-14/h4-7H,1-3,8-10,13H2

InChIKey

BCDIURNDMMBMJT-UHFFFAOYSA-N

Compound name

(4-piperidin-1-ylsulfonylphenyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 49
Patents: 254.1089 Da
Monoisotopic Mass: 0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	255.11618	155.7
[M+Na]+	277.09812	166.0
[M+NH4]+	272.14272	163.4
[M+K]+	293.07206	158.5
[M-H]-	253.10162	158.5
[M+Na-2H]-	275.08357	161.9
[M]+	254.10835	158.2
[M]-	254.10945	158.2

Literature stripe

literature stripe

Patent stripe

patents stripe